Mol:BMCCPTPTp019

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 17 18  0  0  1  0  0  0  0  0999 V2000 
    3.7321    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    8.0622    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9282   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4 10  1  0  0  0  0 
 10  9  2  0  0  0  0 
  9  1  1  0  0  0  0 
  1  2  2  0  0  0  0 
 10  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  4 15  1  0  0  0  0 
  2 11  1  0  0  0  0 
  6 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 12 16  2  0  0  0  0 
 13 14  1  4  0  0  0 
 13 17  1  0  0  0  0 
S  SKP  7 
ID	BMCCPTPTp019 
NAME	Sepiapterin 
FORMULA	C9H11N5O3 
EXACTMASS	237.0861 
AVERAGEMASS	237.2155 
SMILES	CC(O)C(=O)C(C2)=Nc(c(O)1)c(N2)nc(N)n1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00835 
M  END